Research Goals
-To come up with algorithms that allow for binding affinity prediction and linking databases to facilitate rationale drug design from protein structure.What is unique about our research?
-A lot of drug researchers do not synthesize their compounds in a rational and interpretable ways. Most computational methods does not rely on the structural interpretation in a way that are understandable by common sense with experimental prove. Only by observing large amount of distances, shape, and charge complementary in the homologous pockets and reverse engineer them would allow us to dissect binding affinity and design molecules, either the ligand or the protein target, in a human interpretable way.
